N-(4-methoxyphenyl)-2-[3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide

C22H25N3O4S — CID 2892595

IUPACN-(4-methoxyphenyl)-2-[3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
SMILESCOc1ccc(CCN2C(=S)N(C)C(=O)C2CC(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C22H25N3O4S/c1-24-21(27)19(14-20(26)23-16-6-10-18(29-3)11-7-16)25(22(24)30)13-12-15-4-8-17(28-2)9-5-15/h4-11,19H,12-14H2,1-3H3,(H,23,26)
InChIKeyKLZNFDDXLDAXKF-UHFFFAOYSA-N
MW427.53 g/mol
LogP2.70
Rot. Bonds8

About N-(4-methoxyphenyl)-2-[3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide

N-(4-methoxyphenyl)-2-[3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide (PubChem CID 2892595) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
PubChem CID2892595
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC NameN-(4-methoxyphenyl)-2-[3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
SMILESCOc1ccc(CCN2C(=S)N(C)C(=O)C2CC(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C22H25N3O4S/c1-24-21(27)19(14-20(26)23-16-6-10-18(29-3)11-7-16)25(22(24)30)13-12-15-4-8-17(28-2)9-5-15/h4-11,19H,12-14H2,1-3H3,(H,23,26)
InChIKeyKLZNFDDXLDAXKF-UHFFFAOYSA-N
XLogP2.70
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide (CID 2892595) is N-(4-methoxyphenyl)-2-[3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide is COc1ccc(CCN2C(=S)N(C)C(=O)C2CC(=O)Nc2ccc(OC)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide?
The InChIKey is KLZNFDDXLDAXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S/c1-24-21(27)19(14-20(26)23-16-6-10-18(29-3)11-7-16)25(22(24)30)13-12-15-4-8-17(28-2)9-5-15/h4-11,19H,12-14H2,1-3H3,(H,23,26).
What are the key properties of N-(4-methoxyphenyl)-2-[3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide?
N-(4-methoxyphenyl)-2-[3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide has a molecular weight of 427.53 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide is sourced from PubChem (CID 2892595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).